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Propyl 4-propylbenzoate
SpectraBase Compound ID 1DAsCHMLJf0
InChI InChI=1S/C13H18O2/c1-3-5-11-6-8-12(9-7-11)13(14)15-10-4-2/h6-9H,3-5,10H2,1-2H3
InChIKey UWQMCECHMYMHOG-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K3YUdYRj5k
Name Propyl 4-propylbenzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-5-11-6-8-12(9-7-11)13(14)15-10-4-2/h6-9H,3-5,10H2,1-2H3
InChIKey UWQMCECHMYMHOG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.285 g/mol
Nominal Mass 206 u
Quality 981
Retention Index 1491
SMILES C1(C(OCCC)=O)=CC=C(C=C1)CCC
SPLASH splash10-000f-9600000000-5ea8a3ca1f8c0cc1918b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propyl 4-propylbenzoate
Technique GC/MS
Wiley ID DD2024_015811